Geometry & MOs

Info

ID:	261051
PubChem CID:	103215625
Reduced:	ICl2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	294.166746
ΔH_f, kcal/mol:	47.4
Dipole, Da:	2.77
IP(EA), eV:	-9.02(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Cl)CC(C2=CC(=C(C=C2)I)Cl)NC

DOS

IR

Vibrations